1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol

C12H15ClO — CID 81324159

IUPAC1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-3-9-7-12(9,14)10-4-8(2)5-11(13)6-10/h4-6,9,14H,3,7H2,1-2H3
InChIKeyDWPQHIOVDBRSSR-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.27
Rot. Bonds2

About 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol

1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol (PubChem CID 81324159) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol
PubChem CID81324159
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-3-9-7-12(9,14)10-4-8(2)5-11(13)6-10/h4-6,9,14H,3,7H2,1-2H3
InChIKeyDWPQHIOVDBRSSR-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol (CID 81324159) is 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol is CCC1CC1(O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol?
The InChIKey is DWPQHIOVDBRSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-3-9-7-12(9,14)10-4-8(2)5-11(13)6-10/h4-6,9,14H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol?
1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol has a molecular weight of 210.70 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-ethylcyclopropan-1-ol is sourced from PubChem (CID 81324159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).